On Feb 16, 2010, at 12:45 PM, premlata pandit wrote: > Dear all, > > i have tried to calculate the charge density plot for Mg2Si as mentioned in > example05. > > this is a input of pp.x > > &inputpp > prefix = 'mg2si' > outdir = './OUT' > filplot = 'mg2sicharge' > plot_num= 0 > / > &plot > nfile = 1 > filepp(1) = 'mg2sicharge' > weight(1) = 1.0 > iflag = 2 > output_format = 2 > fileout = 'mg2si.rho2.dat' > e1(1) =1.0, e1(2)=1.0, e1(3) = 0.0, > e2(1) =0.0, e2(2)=0.0, e2(3) = 1.0, > nx=56, ny=40 > / > > but i am little confused about nfile = the no of input files. from above > input the charge density plot is shown in fig1 > but if i change input > &plot > nfile = 2 > filepp(2) = 'mg2sicharge' > weight(2) = 2.0 > the charge density plot shown in fig2. > please see the attached figures and > give me valuable suggestions, which plot is right. > > -- > With Regards and Thanks > Premlata Pandit > Ph.d. Student > Barkatullah University > Bhopal 462 026 (M.P) > India >
If you want just to plot some charge density file, you must specify nfile=1, filepp(1)=name_of_file_to_plot nfile>1 is used if you want to plot a linear combination of different files
